CID 2755963

221352-39-2

Structural Information

Molecular Formula

C₁₅H₂₆N₂O₄

SMILES

CC(C)(C)OC(=O)N1CCC(CC1)N2CCCC2C(=O)O

InChI

InChI=1S/C15H26N2O4/c1-15(2,3)21-14(20)16-9-6-11(7-10-16)17-8-4-5-12(17)13(18)19/h11-12H,4-10H2,1-3H3,(H,18,19)

InChIKey

LEJHMMZZSDZTLY-UHFFFAOYSA-N

Compound name

1-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]pyrrolidine-2-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 298.18927 Da
Monoisotopic Mass: -0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	299.196546	172.7
[M+Na]+	321.178488	175.4
[M-H]-	297.181994	174.1
[M+NH4]+	316.223093	186.0
[M+K]+	337.152428	174.1
[M+H-H2O]+	281.186530	165.4
[M+HCOO]-	343.187471	183.8
[M+CH3COO]-	357.203121	198.7
[M+Na-2H]-	319.163936	170.0
[M]+	298.18872142	168.2
[M]-	298.18981858	168.2

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.